N-Cbz-4-piperidinepropionic acid (63845-33-0)

The N-Cbz-4-piperidinepropionic acid, with the CAS registry number 63845-33-0, is also known as 1-Cbz-4-piperidinepropionic acid. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C₁₆H₂₁NO₄ and molecular weight is 291.34. What's more, its IUPAC name is 3-(1-Phenylmethoxycarbonylpiperidin-4-yl)propanoic acid and systematic name is called 3-{1-[(Benzyloxy)carbonyl]piperidin-4-yl}propanoic acid.

Physical properties about N-Cbz-4-piperidinepropionic acid are: (1) ACD/LogP: 2.40; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 1; (4) ACD/LogD (pH 7.4): 0; (5) ACD/BCF (pH 5.5): 4; (6) ACD/BCF (pH 7.4): 1; (7) ACD/KOC (pH 5.5): 52; (8) ACD/KOC (pH 7.4): 1; (9) #H bond acceptors: 5; (10) #H bond donors: 1; (11) #Freely Rotating Bonds: 6; (12) Polar Surface Area: 66.84 Å²; (13) Index of Refraction: 1.547; (14) Molar Refractivity: 77.587 cm³; (15) Molar Volume: 244.535 cm³; (16) Surface Tension: 48.951 dyne/cm; (17) Density: 1.191 g/cm³; (18) Flash Point: 237.97 °C; (19) Enthalpy of Vaporization: 77.151 kJ/mol; (20) Boiling Point: 469.871 °C at 760 mmHg; (21) Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCc1ccccc1)N2CCC(CCC(=O)O)CC2
(2) InChI: InChI=1/C16H21NO4/c18-15(19)7-6-13-8-10-17(11-9-13)16(20)21-12-14-4-2-1-3-5-14/h1-5,13H,6-12H2,(H,18,19)
(3) InChIKey: NZTJJLCAFTZAGK-UHFFFAOYAM